N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide

C13H28N2O2 — CID 103021642

IUPACN-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)11(14)7-8-15(5)12(16)9-13(3,4)17-6/h10-11H,7-9,14H2,1-6H3
InChIKeyAIRXORDHSQUYFG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.63
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide

N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103021642) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103021642
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)11(14)7-8-15(5)12(16)9-13(3,4)17-6/h10-11H,7-9,14H2,1-6H3
InChIKeyAIRXORDHSQUYFG-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
CID 103020271
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807711
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide (CID 103021642) is N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is AIRXORDHSQUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)11(14)7-8-15(5)12(16)9-13(3,4)17-6/h10-11H,7-9,14H2,1-6H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide?
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103021642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).